(2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride

C20H23ClF3NO — CID 158310806

IUPAC(2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
SMILESCc1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H22F3NO.ClH/c1-14-10-15(12-17(11-14)20(21,22)23)13-25-18-8-5-9-24-19(18)16-6-3-2-4-7-16;/h2-4,6-7,10-12,18-19,24H,5,8-9,13H2,1H3;1H/t18-,19-;/m0./s1
InChIKeyWBZAKJHBNWWWBP-HLRBRJAUSA-N
MW385.86 g/mol
LogP5.45
Rot. Bonds4

About (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride

(2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride (PubChem CID 158310806) has the molecular formula C20H23ClF3NO and a molecular weight of 385.86 g/mol. Its IUPAC name is (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
PubChem CID158310806
Molecular FormulaC20H23ClF3NO
Molecular Weight385.86 g/mol
Exact Mass385.14
IUPAC Name(2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
SMILESCc1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H22F3NO.ClH/c1-14-10-15(12-17(11-14)20(21,22)23)13-25-18-8-5-9-24-19(18)16-6-3-2-4-7-16;/h2-4,6-7,10-12,18-19,24H,5,8-9,13H2,1H3;1H/t18-,19-;/m0./s1
InChIKeyWBZAKJHBNWWWBP-HLRBRJAUSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.86
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 11568371
(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 11957600
trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane
CID 22856761
trimethyl-[3-methyl-5-[(2-phenylpiperidin-3-yl)oxymethyl]phenyl]silane
CID 22315916
oxalic acid;2-phenyl-3-phenylmethoxypiperidine
CID 19379364
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperazine
CID 22393872
N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide
CID 57144282
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine
CID 75024257
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidine
CID 11596867
1-[[(1S,2R)-2-(4-fluorophenyl)cyclohexyl]oxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 143439161

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride?
The IUPAC name of (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride (CID 158310806) is (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride.
What is the SMILES notation for (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride?
The canonical SMILES for (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride is Cc1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride?
The InChIKey is WBZAKJHBNWWWBP-HLRBRJAUSA-N. The full InChI is InChI=1S/C20H22F3NO.ClH/c1-14-10-15(12-17(11-14)20(21,22)23)13-25-18-8-5-9-24-19(18)16-6-3-2-4-7-16;/h2-4,6-7,10-12,18-19,24H,5,8-9,13H2,1H3;1H/t18-,19-;/m0./s1.
What are the key properties of (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride?
(2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride has a molecular weight of 385.86 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride is sourced from PubChem (CID 158310806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).